| SpectraBase Compound ID | JChFtKvP210 |
|---|---|
| InChI | InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3 |
| InChIKey | PQOSNJHBSNZITJ-UHFFFAOYSA-N |
| Mol Weight | 130.23 g/mol |
| Molecular Formula | C8H18O |
| Exact Mass | 130.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCPyrv4Sjsc |
|---|---|
| Name | 3-Methyl-3-heptanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.135765199 u |
| Formula | C8H18O |
| InChI | InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3 |
| InChIKey | PQOSNJHBSNZITJ-UHFFFAOYSA-N |
| Molecular Weight | 130.231 g/mol |
| SMILES | OC(CC)(CCCC)C |